Silicon dioxide¶
SiO₂ cells (40 × 40 × 40 Å) in three disorder regimes (amorphous,
MRO, nanocrystalline) built with
Supercell.generate(refine_orientations=True).
Static vs refined¶
Top row is Supercell.generate() with the static-relaxation pipeline
only (FIRE quench, no orientation search); bottom row is the same
cell with refine_orientations=True enabled. The SO(3) coordinate
search that aligns each grain’s lattice to its local environment
before the same final FIRE quench runs. Drag any panel to orbit;
all six rotate in sync.
g(r) overlay: static vs refined, all 6 cases¶
Six g(r) curves on a single radial axis: each regime’s static and refined post-FIRE state, overlaid for direct comparison.
Per-regime trajectories¶
Click any regime for the orientation-refinement movie, the FIRE quench movie, the cost trace, and the final-state polyhedra view.